5-(3-methoxyphenyl)-1-pyridin-2-yl-1,4-diazepane

Systemtic Name: 5-(3-methoxyphenyl)-1-pyridin-2-yl-1,4-diazepane Openeye Name: 5-(3-methoxyphenyl)-1-(2-pyridyl)-1,4-diazepane CAS Name: 5-(3-methoxyphenyl)-1-(2-pyridinyl)-1,4-diazepane IUPAC Name: 5-(3-methoxyphenyl)-1-pyridin-2-yl-1,4-diazepane Traditional Name: 5-(3-methoxyphenyl)-1-(2-pyridyl)-1,4-diazepane Formula: C17H21N3O MolecularWeight: 283.36814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2CCN(CCN2)C3=CC=CC=N3

Isomeric SMILES

COC1=CC=CC(=C1)C2CCN(CCN2)C3=CC=CC=N3

InChI

InChI=1S/C17H21N3O/c1-21-15-6-4-5-14(13-15)16-8-11-20(12-10-18-16)17-7-2-3-9-19-17/h2-7,9,13,16,18H,8,10-12H2,1H3